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BDBM95600 2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxy-N-(3-pyridylmethyl)acetamide::MLS001140434::N-(3-pyridinylmethyl)-2-[(3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl)oxy]acetamide::N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxy-ethanamide::N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide::SMR000650732::cid_4904346

SMILES: Cc1cc(OCC(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1

InChI Key: InChIKey=UNJUYDOYHYNIDO-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95600   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95600
PNG
(2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxy-N-(3-py...)
Show SMILES Cc1cc(OCC(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1
Show InChI InChI=1S/C20H20N2O4/c1-12-7-16(19-13(2)14(3)20(24)26-17(19)8-12)25-11-18(23)22-10-15-5-4-6-21-9-15/h4-9H,10-11H2,1-3H3,(H,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 2.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair